2-fluoro-5-(oxiran-2-yl)benzenesulfonamide

C8H8FNO3S — CID 10987712

IUPAC2-fluoro-5-(oxiran-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C2CO2)ccc1F
InChIInChI=1S/C8H8FNO3S/c9-6-2-1-5(7-4-13-7)3-8(6)14(10,11)12/h1-3,7H,4H2,(H2,10,11,12)
InChIKeySKAPKYUDCMMJGM-UHFFFAOYSA-N
MW217.22 g/mol
LogP0.54
Rot. Bonds2

About 2-fluoro-5-(oxiran-2-yl)benzenesulfonamide

2-fluoro-5-(oxiran-2-yl)benzenesulfonamide (PubChem CID 10987712) has the molecular formula C8H8FNO3S and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-fluoro-5-(oxiran-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-(oxiran-2-yl)benzenesulfonamide
PubChem CID10987712
Molecular FormulaC8H8FNO3S
Molecular Weight217.22 g/mol
Exact Mass217.02
IUPAC Name2-fluoro-5-(oxiran-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(C2CO2)ccc1F
InChIInChI=1S/C8H8FNO3S/c9-6-2-1-5(7-4-13-7)3-8(6)14(10,11)12/h1-3,7H,4H2,(H2,10,11,12)
InChIKeySKAPKYUDCMMJGM-UHFFFAOYSA-N
XLogP0.54
TPSA72.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3-(Methoxymethyl)benzene-1-sulfonyl chloride
CID 43363691
3-(Methoxymethyl)benzene-1-sulfonamide
CID 43363721
2-(Methoxymethyl)benzene-1-sulfonamide
CID 54498390
4-(Methoxymethyl)benzene-1-sulfonamide
CID 57678654
3-(Ethoxymethyl)benzene-1-sulfonyl chloride
CID 62814685
2-(Benzenesulfonyl)-3-(4-fluorophenyl)oxirane
CID 73345888
3-[(2,2,3,3-Tetrafluoropropoxy)methyl]benzene-1-sulfonyl chloride
CID 43670366
2-Fluoro-5-(methoxymethyl)benzene-1-sulfonamide
CID 83271582
4-Fluoro-3-(methoxymethyl)benzene-1-sulfonyl chloride
CID 83271718
2-Fluoro-5-(methoxymethyl)benzene-1-sulfonyl chloride
CID 83271719
3-Fluoro-4-(methoxymethyl)benzene-1-sulfonyl chloride
CID 83271808
2-(4-Fluorophenyl)-2-methoxyethane-1-sulfonyl chloride
CID 105509738

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(oxiran-2-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-5-(oxiran-2-yl)benzenesulfonamide (CID 10987712) is 2-fluoro-5-(oxiran-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-(oxiran-2-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-5-(oxiran-2-yl)benzenesulfonamide is NS(=O)(=O)c1cc(C2CO2)ccc1F.
What is the InChIKey of 2-fluoro-5-(oxiran-2-yl)benzenesulfonamide?
The InChIKey is SKAPKYUDCMMJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO3S/c9-6-2-1-5(7-4-13-7)3-8(6)14(10,11)12/h1-3,7H,4H2,(H2,10,11,12).
What are the key properties of 2-fluoro-5-(oxiran-2-yl)benzenesulfonamide?
2-fluoro-5-(oxiran-2-yl)benzenesulfonamide has a molecular weight of 217.22 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(oxiran-2-yl)benzenesulfonamide is sourced from PubChem (CID 10987712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).